2-amino-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride

C6H8ClF3N4OS — CID 119279568

IUPAC2-amino-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride
SMILESCC(N)C(=O)Nc1nnc(C(F)(F)F)s1.Cl
InChIInChI=1S/C6H7F3N4OS.ClH/c1-2(10)3(14)11-5-13-12-4(15-5)6(7,8)9;/h2H,10H2,1H3,(H,11,13,14);1H
InChIKeyUKPOKCIWMPDFQE-UHFFFAOYSA-N
MW276.67 g/mol
LogP1.26
Rot. Bonds2

About 2-amino-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride

2-amino-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride (PubChem CID 119279568) has the molecular formula C6H8ClF3N4OS and a molecular weight of 276.67 g/mol. Its IUPAC name is 2-amino-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride
PubChem CID119279568
Molecular FormulaC6H8ClF3N4OS
Molecular Weight276.67 g/mol
Exact Mass276.01
IUPAC Name2-amino-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride
SMILESCC(N)C(=O)Nc1nnc(C(F)(F)F)s1.Cl
InChIInChI=1S/C6H7F3N4OS.ClH/c1-2(10)3(14)11-5-13-12-4(15-5)6(7,8)9;/h2H,10H2,1H3,(H,11,13,14);1H
InChIKeyUKPOKCIWMPDFQE-UHFFFAOYSA-N
XLogP1.26
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.67
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride
CID 119279881
2-methyl-3-(methylamino)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 119705214
(2R)-2-amino-N-[5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride
CID 119338753
2-amino-2-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride
CID 119279554
(2R)-2-amino-N-[5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 119338754
2,2-dimethyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 784732
(2S)-2-phenoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 795494
3-amino-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride
CID 119279556
2-(4-acetamidophenyl)sulfanyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 55829286
2-methyl-3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]butanoic acid
CID 114449470
ethyl 2-oxo-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]acetate
CID 2780200
N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-1-carboxamide
CID 86987803

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride?
The IUPAC name of 2-amino-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride (CID 119279568) is 2-amino-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride is CC(N)C(=O)Nc1nnc(C(F)(F)F)s1.Cl.
What is the InChIKey of 2-amino-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride?
The InChIKey is UKPOKCIWMPDFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N4OS.ClH/c1-2(10)3(14)11-5-13-12-4(15-5)6(7,8)9;/h2H,10H2,1H3,(H,11,13,14);1H.
What are the key properties of 2-amino-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride?
2-amino-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride has a molecular weight of 276.67 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride is sourced from PubChem (CID 119279568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).